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94640-97-8 | Isoxazolo[5,4-d]pyrimidin-4(5H)-one, 5-(4-ethoxyphenyl)-3-methyl-
CAS No: 94640-97-8 Catalog No: AG0069EM MDL No:
Product Description
Catalog Number:
AG0069EM
Chemical Name:
Isoxazolo[5,4-d]pyrimidin-4(5H)-one, 5-(4-ethoxyphenyl)-3-methyl-
CAS Number:
94640-97-8
Molecular Formula:
C14H13N3O3
Molecular Weight:
271.2713
IUPAC Name:
5-(4-ethoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
InChI:
InChI=1S/C14H13N3O3/c1-3-19-11-6-4-10(5-7-11)17-8-15-13-12(14(17)18)9(2)16-20-13/h4-8H,3H2,1-2H3
InChI Key:
ILWMHFWKEJKNCU-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)n1cnc2c(c1=O)c(C)no2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.276g/mol
Monoisotopic Mass:
271.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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